2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide

C49H65Br3N14O11 — CID 159602468

IUPAC2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide
SMILESBr.CC(=O)/C=C/c1cnc(N)c(C(=O)NCCN2CCOCC2)c1.Nc1ncc(/C=C/C(=O)O)cc1C(=O)NCCN1CCOCC1.Nc1ncc(Br)cc1C(=O)NCCN1CCOCC1.Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C16H22N4O3.C15H20N4O4.C12H17BrN4O2.C6H5BrN2O2.BrH/c1-12(21)2-3-13-10-14(15(17)19-11-13)16(22)18-4-5-20-6-8-23-9-7-20;16-14-12(9-11(10-18-14)1-2-13(20)21)15(22)17-3-4-19-5-7-23-8-6-19;13-9-7-10(11(14)16-8-9)12(18)15-1-2-17-3-5-19-6-4-17;7-3-1-4(6(10)11)5(8)9-2-3;/h2-3,10-11H,4-9H2,1H3,(H2,17,19)(H,18,22);1-2,9-10H,3-8H2,(H2,16,18)(H,17,22)(H,20,21);7-8H,1-6H2,(H2,14,16)(H,15,18);1-2H,(H2,8,9)(H,10,11);1H/b3-2+;2-1+;;;
InChIKeyMCYUNOOKNSTHBG-MWXQNTGHSA-N
MW1265.86 g/mol
LogP2.34
Rot. Bonds17

About 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide

2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide (PubChem CID 159602468) has the molecular formula C49H65Br3N14O11 and a molecular weight of 1265.86 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide
PubChem CID159602468
Molecular FormulaC49H65Br3N14O11
Molecular Weight1265.86 g/mol
Exact Mass1262.25
IUPAC Name2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide
SMILESBr.CC(=O)/C=C/c1cnc(N)c(C(=O)NCCN2CCOCC2)c1.Nc1ncc(/C=C/C(=O)O)cc1C(=O)NCCN1CCOCC1.Nc1ncc(Br)cc1C(=O)NCCN1CCOCC1.Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C16H22N4O3.C15H20N4O4.C12H17BrN4O2.C6H5BrN2O2.BrH/c1-12(21)2-3-13-10-14(15(17)19-11-13)16(22)18-4-5-20-6-8-23-9-7-20;16-14-12(9-11(10-18-14)1-2-13(20)21)15(22)17-3-4-19-5-7-23-8-6-19;13-9-7-10(11(14)16-8-9)12(18)15-1-2-17-3-5-19-6-4-17;7-3-1-4(6(10)11)5(8)9-2-3;/h2-3,10-11H,4-9H2,1H3,(H2,17,19)(H,18,22);1-2,9-10H,3-8H2,(H2,16,18)(H,17,22)(H,20,21);7-8H,1-6H2,(H2,14,16)(H,15,18);1-2H,(H2,8,9)(H,10,11);1H/b3-2+;2-1+;;;
InChIKeyMCYUNOOKNSTHBG-MWXQNTGHSA-N
XLogP2.34
TPSA372.02 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.86
LogP ≤ 52.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide with MolForge

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Related Compounds

Tert-butyl 4-[3-acetyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[1-(propan-2-ylamino)ethyl]-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 161979217
5-bromo-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid;tert-butyl 4-[3-bromo-5-[(3,4-difluorophenyl)methyl-ethylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate;N-[(3,4-difluorophenyl)methyl]ethanamine
CID 157059584
6-Bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methanone;(6-bromo-3-pyridinyl)-[2,2,3,3,5,5,6,6-octadeuterio-4-(trideuteriomethyl)piperazin-1-yl]methanone;tert-butyl 4-(6-bromopyridine-3-carbonyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate;tert-butyl 2,2,3,3,5,5,6,6-octadeuteriopiperidine-1-carboxylate;hydrochloride
CID 157105647
6-amino-5-bromo-N-methyl-N-propylpyridine-3-carboxamide;6-amino-5-bromopyridine-3-carboxylic acid;tert-butyl 6-amino-5-bromopyridine-3-carboxylate;ethyl 6-amino-5-bromopyridine-3-carboxylate
CID 157373417
2-bromo-3-methyl-5-(oxiran-2-yl)pyridine;6-bromo-5-methylpyridine-3-carbaldehyde;1-(6-bromo-5-methyl-3-pyridinyl)-2-(2-hydroxyethylamino)ethanol;tert-butyl 2-[6-(benzhydrylideneamino)-5-methyl-3-pyridinyl]morpholine-4-carboxylate;tert-butyl N-[2-(6-bromo-5-methyl-3-pyridinyl)-2-hydroxyethyl]-N-(2-hydroxyethyl)carbamate;tert-butyl 2-(6-bromo-5-methyl-3-pyridinyl)morpholine-4-carboxylate;methanamine;methane
CID 157394715
6-(benzylamino)-N-[6-(benzylamino)-2-pyridinyl]pyridine-3-carboxamide;6-N-[[6-(benzylamino)-3-pyridinyl]methyl]pyridine-2,6-diamine;6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridin-2-amine;6-bromopyridine-3-carboxylic acid;methane
CID 157451491
lithium;alumane;tert-butyl N-[5-(bromomethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-(hydroxymethyl)-2-pyridinyl]carbamate;tert-butyl N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]carbamate;ethyl 6-aminopyridine-3-carboxylate;ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate;hydride;1-methylpiperazine;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 157569701
6-bromo-N-(5-bromo-2-pyridinyl)pyridine-3-carboxamide;5-bromopyridin-2-amine;6-bromopyridine-3-carboxylic acid;5-butyl-N-[[6-(propylamino)-3-pyridinyl]methyl]pyridin-2-amine;N-(5-butyl-2-pyridinyl)-6-(propylamino)pyridine-3-carboxamide;methane
CID 157821957
4-bromoaniline;N-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;ethane;6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 158425390
3-Bromo-5-methylpyridin-2-amine;9-bromo-7-methyl-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one;methyl pyridine-4-carboxylate;1-morpholin-4-ylethanone;1-morpholin-4-yl-3-pyridin-4-ylpropane-1,3-dione
CID 158473362
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;hydrobromide
CID 158572491
2-amino-5-bromo-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;2-amino-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 158672010

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide?
The IUPAC name of 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide (CID 159602468) is 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide?
The canonical SMILES for 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide is Br.CC(=O)/C=C/c1cnc(N)c(C(=O)NCCN2CCOCC2)c1.Nc1ncc(/C=C/C(=O)O)cc1C(=O)NCCN1CCOCC1.Nc1ncc(Br)cc1C(=O)NCCN1CCOCC1.Nc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide?
The InChIKey is MCYUNOOKNSTHBG-MWXQNTGHSA-N. The full InChI is InChI=1S/C16H22N4O3.C15H20N4O4.C12H17BrN4O2.C6H5BrN2O2.BrH/c1-12(21)2-3-13-10-14(15(17)19-11-13)16(22)18-4-5-20-6-8-23-9-7-20;16-14-12(9-11(10-18-14)1-2-13(20)21)15(22)17-3-4-19-5-7-23-8-6-19;13-9-7-10(11(14)16-8-9)12(18)15-1-2-17-3-5-19-6-4-17;7-3-1-4(6(10)11)5(8)9-2-3;/h2-3,10-11H,4-9H2,1H3,(H2,17,19)(H,18,22);1-2,9-10H,3-8H2,(H2,16,18)(H,17,22)(H,20,21);7-8H,1-6H2,(H2,14,16)(H,15,18);1-2H,(H2,8,9)(H,10,11);1H/b3-2+;2-1+;;;.
What are the key properties of 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide?
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide has a molecular weight of 1265.86 g/mol, XLogP of 2.34, 17 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;2-amino-N-(2-morpholin-4-ylethyl)-5-[(E)-3-oxobut-1-enyl]pyridine-3-carboxamide;hydrobromide is sourced from PubChem (CID 159602468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).